(Q82903738)

English

(4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid

group of stereoisomers with the chemical formula C₃₇H₅₆O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

660.387347992 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₇H₅₆O₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)OC1C(O)COC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C(=O)O)CCC5(C(=O)O)CCC34C)C2(C)C)C1O

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)[C@@H]3CC=C3[C@H]5CC(C)(C(=O)O)CC[C@]5(C(=O)O)CC[C@]34C)C2(C)C)OC[C@@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C37H56O10/c1-20(38)46-28-23(39)19-45-29(27(28)40)47-26-11-12-34(5)24(32(26,2)3)10-13-36(7)25(34)9-8-21-22-18-33(4,30(41)42)14-16-37(22,31(43)44)17-15-35(21,36)6/h8,22-29,39-40H,9-19H2,1-7H3,(H,41,42)(H,43,44)/t22-,23+,24?,25-,26+,27-,28+,29+,33?,34+,35-,36-,37+/m1/s1

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InChIKey

FGXBTQAHODSGKN-ZBQCWLKPSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID401357676

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(Q82903738)

(4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid

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